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CHEBI:191442 - Kaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside

ChEBI IDCHEBI:191442
ChEBI NameKaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H46O22
Net Charge0
Average Mass902.808
Monoisotopic Mass902.24807
SMILESCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)C(OC2OC(COC(=O)/C=C/c3ccc(O)cc3)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C42H46O22/c1-16-28(48)34(54)39(64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17)42(58-16)63-38-31(51)27-22(46)12-21(59-40-35(55)32(52)29(49)24(14-43)61-40)13-23(27)60-37(38)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+
InChIKeyGFXMZXPRAAYHIX-NYYWCZLTSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside (CHEBI:191442) is a flavonoids (CHEBI:72544)
Kaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside (CHEBI:191442) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0039941HMDB